General Information of the Compound
| Compound ID |
CP0545239
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| Compound Name |
Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-4-methyl-2-(methyl-phenethyl-amino)-pentanoylamino]-ethyl}-phenyl ester
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| Structure |
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| Formula |
C35H45N3O4
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| Molecular Weight |
571.762
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| Canonical SMILES |
CC(C)C[C@H](N(C)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C35H45N3O4/c1-25(2)23-31(38(6)22-21-26-13-9-7-10-14-26)33(40)36-30(32(39)37-35(3,4)5)24-27-17-19-29(20-18-27)42-34(41)28-15-11-8-12-16-28/h7-20,25,30-31H,21-24H2,1-6H3,(H,36,40)(H,37,39)/t30-,31-/m0/s1
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| InChIKey |
JIDSTTNPFKBEDP-CONSDPRKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound